1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea

C18H18N4O2 — CID 68563288

IUPAC1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)NC(CO)c1ccccc1
InChIInChI=1S/C18H18N4O2/c23-12-17(14-4-2-1-3-5-14)22-18(24)21-16-8-6-13(7-9-16)15-10-19-20-11-15/h1-11,17,23H,12H2,(H,19,20)(H2,21,22,24)
InChIKeyWMVYJMKZRNNBMQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.93
Rot. Bonds5

About 1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea

1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 68563288) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID68563288
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)NC(CO)c1ccccc1
InChIInChI=1S/C18H18N4O2/c23-12-17(14-4-2-1-3-5-14)22-18(24)21-16-8-6-13(7-9-16)15-10-19-20-11-15/h1-11,17,23H,12H2,(H,19,20)(H2,21,22,24)
InChIKeyWMVYJMKZRNNBMQ-UHFFFAOYSA-N
XLogP2.93
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-1-phenylpropyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562540
1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 45381162
Rock-IN-D3
CID 68520643
1-[(3-methylphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68561683
1-[3-(dimethylamino)-1-phenylpropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68561726
1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea
CID 68562357
1-[(3-fluorophenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562476
1-[(3-aminophenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562627
1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563753
3-(4-(1H-Pyrazol-4-yl)phenyl)-1-benzyl-1-(2-hydroxyethyl)urea
CID 68565003
1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68566254
2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate
CID 68567421

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 68563288) is 1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea is O=C(Nc1ccc(-c2cn[nH]c2)cc1)NC(CO)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is WMVYJMKZRNNBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-12-17(14-4-2-1-3-5-14)22-18(24)21-16-8-6-13(7-9-16)15-10-19-20-11-15/h1-11,17,23H,12H2,(H,19,20)(H2,21,22,24).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 322.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 68563288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).